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Compound Detail

CHEMBL271390

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COC(=O)c1cnc(C(=O)CCc2ccc(COc3ccccc3)cc2)o1

Basic Information

ChEMBL ID CHEMBL271390
Phase Preclinical
Structure Type MOL
InChI Key SYPJJJXIOQYZFI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

365.4
MW (Da)
3.86
ALogP
6
HBA
0
HBD
78.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19NO5
MW 365.39
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.46

Activity Summary

Ki 1 meas. best 8.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
Ki 8.8 8.8 1.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 Ki = 1.6 nM 8.8 Inhibition of rat recombinant FAAH expressed in Escherichia coli 18247553

Literature References

PubMed DOI Target Context # Activities
18247553 10.1021/jm701210y Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine